39561-98-3
Product Name:
3,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-ethyl 5-(2-propen-1-yl) ester
Formula:
C20H22ClNO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 375.8 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 375.1237359 g/mol |
| Monoisotopic Mass | 375.1237359 g/mol |
| Topological Polar Surface Area | 64.6 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 638 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |